Muvalaplin
(2S)-3-[3-[[bis[[3-[(2S)-2-carboxy-2-[(3R)-pyrrolidin-3-yl]ethyl]phenyl]methyl]amino]methyl]phenyl]-2-[(3R)-pyrrolidin-3-yl]propanoic acid
Molecular Identity
Muvalaplin
(2S)-3-[3-[[bis[[3-[(2S)-2-carboxy-2-[(3R)-pyrrolidin-3-yl]ethyl]phenyl]methyl]amino]methyl]phenyl]-2-[(3R)-pyrrolidin-3-yl]propanoic acid
PubChem CID: 155369486
2D Structure
Properties
C42H54N4O6
Molecular Formula
710.90
Molecular Weight
g/mol
710.4043
Exact Mass
Da
-2.8
XLogP
Drug-like (Lipinski: < 5)
151
TPSA
May have limited oral absorption
6
H-Bond Donors
10
H-Bond Acceptors
1020
Complexity
SMILES
Canonical SMILES
SMILES: C1CNCC1C(CC2=CC(=CC=C2)CN(CC3=CC=CC(=C3)CC(C4CCNC4)C(=O)O)CC5=CC=CC(=C5)CC(C6CCNC6)C(=O)O)C(=O)OIsomeric SMILES
SMILES: C1CNC[C@H]1[C@H](CC2=CC(=CC=C2)CN(CC3=CC=CC(=C3)C[C@@H]([C@H]4CCNC4)C(=O)O)CC5=CC=CC(=C5)C[C@@H]([C@H]6CCNC6)C(=O)O)C(=O)OSynonyms(20)
Muvalaplin2565656-70-2LY3473329HSU2KY4EFKLY-3473329RefChem:1090053Muvalaplin [USAN](2S,2'S,2''S)-3,3',3''-((nitrilotris(methylene))tris(benzene-3,1-diyl))tris(2-((R)-pyrrolidin-3-yl)propanoic acid)UNII-HSU2KY4EFKMuvalaplin (USAN)WHO 12607(2S)-3-[3-[[bis[[3-[(2S)-2-carboxy-2-[(3R)-pyrrolidin-3-yl]ethyl]phenyl]methyl]amino]methyl]phenyl]-2-[(3R)-pyrrolidin-3-yl]propanoic acid3-Pyrrolidineacetic acid, alpha,alpha',alpha''- (nitrilotris(methylene-3,1-phenylenemethylene))tris-,(alphaS,alpha'S,alpha''S,3R,3'R,3''R)-MuvalaplinaMuvalapline
Data from PubChem (NCBI)
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Drug Network
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